Molecule Details
| InChIKey | MVYOBBWPCHPRSG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-Chloro-6-[2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile |
| Canonical SMILES | COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2C#N)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 7.6 | IC50 | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.5 | IC50 | ChEMBL;BindingDB |
| P41180 | CASR | Homo sapiens | Human | PF00003 PF01094 PF07562 | 7.2 | IC50 | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 7.1 | IC50 | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.0 | IC50 | ChEMBL;BindingDB |